Geometry & MOs

Info

ID:	241244
PubChem CID:	96022195
Reduced:	OF2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	252.143805
ΔH_f, kcal/mol:	-94.87
Dipole, Da:	5.44
IP(EA), eV:	-9.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,8-difluoro-1-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=CC=CNC3=O

DOS

IR

Vibrations